UCSF

ZINC03888447

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 No

Popular Name: 4-Benzo[1,3]dioxol-5-yl-2,4-dioxo-butyric acid methyl ester 4-Benzo[1,3]dioxol-5-yl-2,4-diox…

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CAS Number: 832741-10-3

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 6.06 -42.68 0 6 -1 85 249.198 4 ↓
Mid Mid (pH 6-8) 1.84 0.61 -17.47 1 6 0 82 250.206 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 98 - 105 Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )